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7253-99-8

7253-99-8 | 1,3-bis(2-cyanoethyl)urea

CAS No: 7253-99-8 Catalog No: AG005GEX MDL No:

Product Description

Catalog Number:
AG005GEX
Chemical Name:
1,3-bis(2-cyanoethyl)urea
CAS Number:
7253-99-8
Molecular Formula:
C7H10N4O
Molecular Weight:
166.1805
IUPAC Name:
1,3-bis(2-cyanoethyl)urea
InChI:
InChI=1S/C7H10N4O/c8-3-1-5-10-7(12)11-6-2-4-9/h1-2,5-6H2,(H2,10,11,12)
InChI Key:
USOVWWLFOREQSN-UHFFFAOYSA-N
SMILES:
N#CCCNC(=O)NCCC#N
NSC Number:
72720

Properties

Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.184g/mol
Monoisotopic Mass:
166.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

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